⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4254228 | 0.83 | — | — | |
| SCHEMBL8221695 | 0.76 | — | — | |
| SCHEMBL5074450 | 0.70 | — | — | |
| SCHEMBL6201116 | 0.65 | — | — | |
| SCHEMBL15824349 | 0.65 | — | — | |
| SCHEMBL28963157 | 0.64 | — | — | |
| SCHEMBL9328459 | 0.62 | — | — | |
| SCHEMBL13210035 | 0.62 | — | — | |
| SCHEMBL1204721 | 0.61 | ATM (0.42) | — | |
| SCHEMBL1206530 | 0.61 | DAO (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104684908-A | Tetrazolinone compounds and their use as pesticides | SUMITOMO CHEMICAL CO | 2015-06-03 | — | — | CN | disclosed |
| US-7393873-B2 | Arylsulfonamide derivatives | MERCK & CO., INC. (US) | 2008-07-01 | — | — | US | disclosed |
| US-20060142612-A1 | Arylsulfonamide derivatives | MERCK SHARP & DOHME CORP. | 2006-06-29 | — | — | US | disclosed |